SCHEMBL28111709

SCHEMBL28111709

C=C(C(=O)OC)C1(O)CCCC(O)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22325552 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28134251 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL23484419 0.71 CYP1A2 (0.32)
SCHEMBL19522736 0.71 CYP1A2 (0.32)
SCHEMBL1395183 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7184418 0.69 F10 (0.37) ALDH1A1
SCHEMBL12450023 0.68 NPSR1 (0.34) ALDH1A1
SCHEMBL28186423 0.68 NPSR1 (0.35) ALDH1A1
SCHEMBL11080010 0.66 NPSR1 (0.36) ALDH1A1
SCHEMBL14019677 0.66 ALDH1A1 (0.35) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339206-B Resin composition and semiconductor device 住友电木株式会社 2016-11-23 CN disclosed